2-Chloro-5-methoxypyridine-3-boronic Acid - CAS 1072946-26-9

Catalog:	BB002031
Product Name:	2-Chloro-5-methoxypyridine-3-boronic Acid
CAS:	1072946-26-9
Synonyms:	(2-chloro-5-methoxy-3-pyridinyl)boronic acid; (2-chloro-5-methoxypyridin-3-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-chloro-5-methoxypyridin-3-yl)boronic acid
Description:	2-Chloro-5-methoxypyridine-3-boronic Acid (CAS# 1072946-26-9) is a useful research chemical.
Molecular Weight:	187.39
Molecular Formula:	C6H7ClNO3B
Canonical SMILES:	B(C1=CC(=CN=C1Cl)OC)(O)O
InChI:	InChI=1S/C6H7BClNO3/c1-12-4-2-5(7(10)11)6(8)9-3-4/h2-3,10-11H,1H3
InChI Key:	ZTPMWCGARULXJT-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	-0.57660

Publication Number	Title	Priority Date
AU-2017276626-A1	New antibacterial compounds	20160608
AU-2017276627-A1	New antibacterial compounds	20160608
EP-3468970-A1	New antibacterial compounds	20160608
EP-3468975-A1	New antibacterial compounds	20160608
EP-3468975-B1	New antibacterial compounds	20160608

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.0207509
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	187.0207509
Rotatable Bond Count:	2
Topological Polar Surface Area:	62.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0